CID 1477779

179057-14-8

Structural Information

Molecular Formula
C11H9NO3
SMILES
COC(=O)C1=CC=C(C=C1)C2=CN=CO2
InChI
InChI=1S/C11H9NO3/c1-14-11(13)9-4-2-8(3-5-9)10-6-12-7-15-10/h2-7H,1H3
InChIKey
LFNHUUMUCVZCGY-UHFFFAOYSA-N
Compound name
methyl 4-(1,3-oxazol-5-yl)benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

129
Patents

203.05824 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.06552 140.6
[M+Na]+ 226.04746 149.5
[M-H]- 202.05096 147.3
[M+NH4]+ 221.09206 158.7
[M+K]+ 242.02140 148.9
[M+H-H2O]+ 186.05550 133.6
[M+HCOO]- 248.05644 164.5
[M+CH3COO]- 262.07209 182.1
[M+Na-2H]- 224.03291 146.7
[M]+ 203.05769 143.9
[M]- 203.05879 143.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe